ChemSpider 2D Image | Methyl N-[(2S)-2-hydroxy-3-methylbutanoyl]-L-leucyl-L-prolyl-N,O-dimethyl-L-tyrosinate | C28H43N3O7

Methyl N-[(2S)-2-hydroxy-3-methylbutanoyl]-L-leucyl-L-prolyl-N,O-dimethyl-L-tyrosinate

  • Molecular FormulaC28H43N3O7
  • Average mass533.657 Da
  • Monoisotopic mass533.310120 Da
  • ChemSpider ID8920191

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

L-Tyrosine, N-[(2S)-2-hydroxy-3-methyl-1-oxobutyl]-L-leucyl-L-prolyl-N,O-dimethyl-, methyl ester [ACD/Index Name]
Methyl N-[(2S)-2-hydroxy-3-methylbutanoyl]-L-leucyl-L-prolyl-N,O-dimethyl-L-tyrosinate [ACD/IUPAC Name]
Methyl-N-[(2S)-2-hydroxy-3-methylbutanoyl]-L-leucyl-L-prolyl-N,O-dimethyl-L-tyrosinat [German] [ACD/IUPAC Name]
N-[(2S)-2-Hydroxy-3-méthylbutanoyl]-L-leucyl-L-prolyl-N,O-diméthyl-L-tyrosinate de méthyle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 744.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.9±3.0 kJ/mol
Flash Point: 403.9±32.9 °C
Index of Refraction: 1.534
Molar Refractivity: 142.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.85
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 87.78
ACD/KOC (pH 5.5): 856.45
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 87.78
ACD/KOC (pH 7.4): 856.45
Polar Surface Area: 125 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 457.6±3.0 cm3

Click to predict properties on the Chemicalize site


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